==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-12 4FM6 . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.H.SHEN,I.T.WEBER . 203 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 36.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 B P 0 0 90 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.7 -29.6 4.4 -18.2 2 2 B Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.981 360.0-162.1-116.1 117.0 -29.4 6.8 -21.1 3 3 B I E -A 197 0A 35 194,-3.1 194,-2.6 -2,-0.5 2,-0.1 -0.890 4.5-150.2-106.0 120.3 -28.4 10.3 -20.1 4 4 B T - 0 0 68 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.360 13.9-133.9 -76.9 167.0 -29.1 13.2 -22.4 5 5 B L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.141 73.4 109.2-116.4 21.8 -26.9 16.1 -22.4 6 6 B W S S+ 0 0 196 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.871 93.2 21.4 -59.1 -37.0 -29.4 19.0 -22.3 7 7 B K S S- 0 0 163 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.780 110.7 -67.5-125.0 172.8 -28.2 19.5 -18.8 8 8 B R - 0 0 105 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.426 51.4-119.6 -60.2 130.7 -25.1 18.6 -16.8 9 9 B P + 0 0 3 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.560 47.0 171.8 -78.3 81.8 -24.9 14.8 -16.3 10 10 B L E +D 23 0B 92 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.779 6.8 173.5 -96.4 135.9 -25.0 14.7 -12.6 11 11 B V E -D 22 0B 17 11,-2.8 11,-2.9 -2,-0.4 2,-0.4 -0.892 33.4-105.8-134.3 163.8 -25.3 11.5 -10.6 12 12 B T E -D 21 0B 65 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.757 38.0-174.7 -87.8 134.9 -25.1 10.5 -6.9 13 13 B I E -DE 20 66B 1 7,-3.1 7,-2.5 -2,-0.4 2,-0.5 -0.893 19.6-143.2-122.8 156.8 -22.0 8.7 -5.8 14 14 B K E +DE 19 65B 102 51,-2.2 51,-2.3 -2,-0.3 2,-0.3 -0.993 31.2 157.7-122.1 125.5 -21.0 7.0 -2.6 15 15 B I E > -DE 18 64B 1 3,-2.4 3,-2.4 -2,-0.5 49,-0.1 -0.993 66.3 -1.2-148.3 132.6 -17.4 7.3 -1.6 16 16 B G T 3 S- 0 0 47 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.778 129.1 -59.1 58.9 24.7 -15.7 7.0 1.8 17 17 B G T 3 S+ 0 0 67 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.431 116.1 111.0 87.8 -1.5 -19.1 6.3 3.3 18 18 B Q E < -D 15 0B 79 -3,-2.4 -3,-2.4 2,-0.0 2,-0.5 -0.819 64.5-131.3-112.6 144.2 -20.4 9.7 2.1 19 19 B L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.806 35.4 165.9 -91.4 133.3 -23.0 10.5 -0.5 20 20 B K E -D 13 0B 28 -7,-2.5 -7,-3.1 -2,-0.5 2,-0.4 -0.945 35.8-118.9-139.3 160.4 -22.0 13.2 -3.0 21 21 B E E -D 12 0B 105 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.856 37.6-178.8 -97.2 140.5 -23.2 14.5 -6.4 22 22 B A E -D 11 0B 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.974 26.3-120.0-143.4 154.5 -20.7 14.2 -9.3 23 23 B L E -Df 10 84B 4 60,-2.8 62,-2.9 -2,-0.3 2,-0.7 -0.835 21.9-131.5 -94.5 127.3 -20.4 15.0 -12.9 24 24 B L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.2 -0.702 34.7-175.4 -79.4 113.4 -19.9 12.3 -15.5 25 25 B D > - 0 0 0 60,-2.5 3,-1.7 -2,-0.7 62,-0.3 -0.848 26.9-179.9-125.7 97.6 -17.0 13.8 -17.5 26 26 B T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.722 86.3 63.7 -70.0 -16.7 -15.7 12.0 -20.6 27 27 B G T 3 S+ 0 0 18 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.235 88.0 85.5 -92.4 13.6 -13.2 14.9 -21.0 28 28 B A < - 0 0 10 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.967 56.3-166.4-112.3 126.4 -11.5 14.0 -17.7 29 29 B D S S+ 0 0 51 -2,-0.4 59,-1.4 57,-0.2 2,-0.2 0.871 78.2 42.4 -69.5 -36.4 -8.8 11.3 -17.5 30 30 B D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.689 81.6-116.5-115.6 157.5 -9.1 11.2 -13.8 31 31 B T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.864 33.7-171.3 -96.2 126.9 -11.7 11.2 -11.0 32 32 B I E -gH 76 84B 10 52,-1.9 52,-3.0 -2,-0.5 2,-0.3 -0.993 4.0-173.9-131.4 122.8 -11.5 14.3 -8.8 33 33 B I E -g 77 0B 0 43,-3.0 45,-2.4 -2,-0.4 3,-0.2 -0.888 29.9-104.0-118.6 142.1 -13.4 14.8 -5.6 34 34 B E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.100 68.4 -54.7 -52.8 159.6 -13.7 17.9 -3.3 35 35 B E S S+ 0 0 110 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.109 80.5 134.1 -51.2 125.8 -11.7 17.8 -0.1 36 36 B M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.947 54.7 -98.2-158.8 164.2 -12.6 14.8 2.1 37 37 B S + 0 0 96 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.750 36.7 179.3 -91.3 139.2 -10.7 12.2 4.0 38 38 B L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.975 28.7-109.2-130.7 151.5 -10.0 8.8 2.5 39 39 B P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.449 71.6 25.8 -80.3 158.1 -8.1 5.9 4.1 40 40 B G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.254 95.1 -26.9 92.0-171.8 -4.7 4.6 3.1 41 41 B R - 0 0 229 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.367 53.9-177.6 -79.6 158.5 -1.6 6.1 1.5 42 42 B W E -I 59 0B 135 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.963 12.4-157.0-147.5 163.8 -1.5 9.0 -0.9 43 43 B K E -I 58 0B 111 15,-1.5 15,-3.0 -2,-0.3 2,-0.1 -0.986 30.8-100.3-140.9 152.8 0.9 11.0 -2.9 44 44 B P E +I 57 0B 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.403 40.2 173.5 -75.8 153.3 0.8 14.5 -4.3 45 45 B K E -I 56 0B 77 11,-2.2 11,-3.1 -2,-0.1 2,-0.4 -0.981 24.6-137.3-149.7 153.0 -0.1 15.2 -7.9 46 46 B M E -I 55 0B 116 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 22.0-177.5-111.5 133.6 -0.8 18.3 -10.1 47 47 B I E -I 54 0B 13 7,-2.4 7,-2.7 -2,-0.4 2,-0.3 -0.957 6.4-169.9-130.0 150.0 -3.7 18.3 -12.6 48 48 B G E +I 53 0B 38 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.882 20.0 137.1-141.3 167.0 -4.6 21.0 -15.0 49 49 B G E > -I 52 0B 20 3,-2.1 3,-2.4 -2,-0.3 100,-0.1 -0.817 65.8 -3.4-174.9-152.4 -7.2 22.2 -17.4 50 50 B I T 3 S+ 0 0 5 154,-0.3 101,-2.3 1,-0.3 102,-0.5 -0.383 132.2 21.1 -63.6 137.5 -8.8 25.4 -18.3 51 51 B G T 3 S- 0 0 32 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.440 122.3 -84.3 85.7 -2.7 -7.6 28.1 -15.9 52 52 B G E < -I 49 0B 30 -3,-2.4 -3,-2.1 100,-0.1 2,-0.3 -0.731 64.6 -32.3 113.7-156.7 -4.4 26.2 -14.9 53 53 B F E -I 48 0B 146 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.811 35.9-163.0-114.0 150.1 -3.4 23.6 -12.4 54 54 B I E -I 47 0B 20 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.4 -0.923 24.0-121.1-126.1 151.0 -4.4 22.5 -8.9 55 55 B K E +I 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.814 38.1 175.1 -92.0 134.3 -2.5 20.3 -6.4 56 56 B V E -I 45 0B 4 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.843 32.6-114.1-131.7 166.1 -4.3 17.1 -5.3 57 57 B R E -IJ 44 77B 52 20,-2.5 20,-2.4 -2,-0.3 2,-0.6 -0.929 28.2-143.7-102.2 130.7 -3.8 14.0 -3.3 58 58 B Q E -IJ 43 76B 28 -15,-3.0 -15,-1.5 -2,-0.5 2,-0.4 -0.881 17.3-175.6-101.2 114.9 -3.8 10.8 -5.2 59 59 B Y E -IJ 42 75B 11 16,-2.7 16,-2.6 -2,-0.6 3,-0.3 -0.950 12.3-150.6-108.7 128.9 -5.4 7.8 -3.4 60 60 B D E + 0 0 72 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.644 68.1 20.2-100.4 157.5 -5.2 4.4 -5.1 61 61 B Q E S+ 0 0 166 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.917 76.6 160.5 56.2 53.0 -7.6 1.4 -4.9 62 62 B I E - J 0 73B 16 11,-2.8 11,-1.9 -3,-0.3 2,-0.4 -0.883 34.2-137.0-103.2 133.1 -10.7 3.4 -3.7 63 63 B I E + J 0 72B 108 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.727 24.8 179.4 -92.2 131.6 -14.1 1.9 -4.2 64 64 B I E -EJ 15 71B 0 7,-2.2 7,-1.5 -2,-0.4 2,-0.6 -0.994 23.0-143.5-134.1 129.5 -16.9 4.3 -5.4 65 65 B E E -EJ 14 70B 65 -51,-2.3 -51,-2.2 -2,-0.4 2,-0.6 -0.834 20.7-165.6 -95.2 120.7 -20.5 3.4 -6.1 66 66 B I E > -EJ 13 69B 0 3,-2.9 3,-2.2 -2,-0.6 -53,-0.2 -0.954 69.0 -32.1-117.6 107.7 -21.6 5.5 -9.1 67 67 B A T 3 S- 0 0 42 -55,-2.6 -1,-0.2 -2,-0.6 -54,-0.1 0.850 130.0 -42.2 48.3 41.0 -25.3 5.7 -9.7 68 68 B G T 3 S+ 0 0 51 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.442 117.9 108.5 93.4 -5.1 -25.6 2.2 -8.2 69 69 B H E < - J 0 66B 69 -3,-2.2 -3,-2.9 2,-0.0 2,-0.2 -0.934 60.4-137.3-113.2 130.0 -22.6 0.6 -9.9 70 70 B K E + J 0 65B 155 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.524 29.1 163.2 -86.1 142.3 -19.4 -0.3 -7.9 71 71 B A E - J 0 64B 9 -7,-1.5 -7,-2.2 -2,-0.2 2,-0.4 -0.978 23.5-143.7-148.1 159.3 -16.0 0.4 -9.3 72 72 B I E + J 0 63B 84 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.983 40.4 103.4-129.0 143.3 -12.5 0.6 -8.0 73 73 B G E - 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